SCHEMBL7987629

SCHEMBL7987629

O=c1nc(-c2cccc(Cl)c2)[nH]c2ncn(CCCc3ccccc3)c12

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNOT7 Q9UIV1 4/20 0.52
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
CXCR2 P25025 1/20 0.43
TSHR P16473 1/20 0.42
PIN1 Q13526 2/20 0.42
PGR P06401 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ACP1 P24666 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
IDO1 P14902 1/20 0.39
PARN O95453 1/20 0.38
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
P2RX7 Q99572 1/20 0.38
PSMB2 P49721 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7988553 0.94 CNOT7 (0.50) CNOT7CXCR2PIN1PGRACP1
SCHEMBL7984244 0.90 CNOT7 (0.60) CNOT7KDM4ELMNAPOLBMAPK1
SCHEMBL7974015 0.89 PARN (0.49) CNOT7MAPK1CXCR2PIN1PGR
SCHEMBL7974293 0.88 CNOT7 (0.52) CNOT7KDM4ELMNAPOLBMAPK1
SCHEMBL7986359 0.88 CNOT7 (0.52) CNOT7KDM4ELMNAPOLBMAPK1
SCHEMBL7992307 0.88 CNOT7 (0.54) CNOT7KDM4ELMNAPOLBMAPK1
SCHEMBL7984902 0.85 CNOT7 (0.49) CNOT7KDM4ELMNAPOLBMAPK1
SCHEMBL7973628 0.84 SMN1; SMN2 (0.48) CNOT7MAPK1CXCR2PGRSMN1; SMN2
SCHEMBL7987627 0.84 KDM4E (0.50) CNOT7KDM4ELMNAPOLBMAPK1
SCHEMBL7991656 0.83 CNOT7 (0.55) CNOT7KDM4ELMNAPOLBMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6310070-B1 FOR TREATING NEPHRITIS, IMPROVING PROTEINURIA DUE TO GLOMERULONEPHRITIS AND PREVENTING AGGRAVATION OF NEPHRITIS JAPAN ENERGY CORPORATION (JP) 2001-10-30 US disclosed
EP-0999211-A1 NOVEL PURINE DERIVATIVES AND MEDICINAL USE THEREOF JAPAN ENERGY CORPORATION (JP) 2000-05-10 EP disclosed